Attributes
UniProt ID
Protein Name
3-hydroxy-3-methylglutaryl-coenzyme A reductase
Ligand Name
(3R,5R)-7-[2-(4-fluorophenyl)-4-[(2-hydroxyphenyl)carbamoyl]-5-(1-methylethyl)-3-phenyl-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
CZBPKFICAYVHHM-JWQCQUIFSA-N
SMILES
CC(C)c1c(c(c(n1CCC(CC(CC(=O)O)O)O)c2ccc(cc2)F)c3ccccc3)C(=O)Nc4ccccc4O
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 3CCT
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Color Legend
Unassigned regionsLigand / hetero atomse3cctA1e3cctA2e3cctB1e3cctB2e3cctC1e3cctC2e3cctD1e3cctD2
ECOD domains from experimental PDB structures interacting with ligand 3HI
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| P04035 | n/a | 3HI | 3cct | e3cctA1 | A:570-686 |
| P04035 | n/a | 3HI | 3cct | e3cctA2 | A:441-569,A:687-861 |
| P04035 | n/a | 3HI | 3cct | e3cctB2 | B:441-569,B:687-861 |
| P04035 | n/a | 3HI | 3cct | e3cctC1 | C:579-695 |
| P04035 | n/a | 3HI | 3cct | e3cctC2 | C:444-578,C:696-860 |
| P04035 | n/a | 3HI | 3cct | e3cctD1 | D:576-692 |
| P04035 | n/a | 3HI | 3cct | e3cctD2 | D:458-575,D:693-859 |